GENERAL INFO

Title: /bis-PEtAm2 bis-PEtAm2_C2_3_PPrigidscan_3
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/451987
Program: Gaussian 03 AM64L-G03RevD.02
Author: Pye, Cory
Formula: C4H12N4P2
Calculation type: Single point Structure
Method(s): UB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group NOp

JOB |

Energies

Energy Value Units
SCF Done: -1061.28589822 Eh

Energy Value Units
HF -1061.2858982 Eh

Spin

S^2

S**2 before annihilation = 0.8863

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